bis(2-cyanoethyl)-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: bis(2-cyanoethyl)-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: bis(2-cyanoethyl)-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]ammonium CAS Name: bis(2-cyanoethyl)-[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]azanium Traditional Name: bis(2-cyanoethyl)-[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]ammonium Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+](CCC#N)CCC#N

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)C[NH+](CCC#N)CCC#N

InChI

InChI=1S/C17H24N4O2/c1-14-12-16(15(2)21(14)10-11-23-3)17(22)13-20(8-4-6-18)9-5-7-19/h12H,4-5,8-11,13H2,1-3H3/p+1